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COCONUT Compound
(1R,2E,6E,11R)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-ol
CNP0485094.1 · C15H26O · View on COCONUT ↗
2D Structure
Identifiers
| Name | (1R,2E,6E,11R)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-ol |
|---|---|
| IUPAC Name | (1~{R},2~{E},6~{E},11~{R})-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-ol |
| COCONUT ID | CNP0485094.1 |
| InChIKey | YAADQSLRHDRMAP-SYLDDSGQSA-N |
| InChI | InChI=1S/C15H26O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h8-9,11,13-14,16H,5-7,10H2,1-4H3/b11-9+,12-8+/t13-,14+/m1/s1 |
| SMILES | C/C1=C\CC(C)(C)/C=C/[C@H](O)[C@H](C)CCC1 |
Properties
| Molecular Formula | C15H26O |
|---|---|
| Molecular Weight | 222.37 |
| Exact Mass | 222.19837 |
| Log P (ALogP) | 4.09 |
| TPSA | 20.23 |
| H-Bond Donors / Acceptors | 1 / 1 |
| Rotatable Bonds | 0 |
| Lipinski's Rule of 5 Violations | 0 |
| QED Drug-likeness | 0.61 |
| NP-likeness | 2.76 |
Classification
| NP Pathway | Terpenoids |
|---|---|
| NP Superclass | Sesquiterpenoids |
| NP Class | Humulane sesquiterpenoids |
| Chemical Superclass | Lipids and lipid-like molecules |
| Chemical Class | Prenol lipids |
| Chemical Subclass | Sesquiterpenoids |
Reported in GR-MAPs Plants
| Syringa pinnatifolia | as “Syringa pinnatifolia” in COCONUT |
|---|
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.